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Molecular core-valence correlation effects involving the post-d elements Ga-Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets

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An arbitrary order Douglas-Kroll method with polynomial cost

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Recovering four-component solutions by the inverse transformation of the infinite-order two-component wave functions

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Comprehensive Ab Initio Calculation and Simulation on the Low-Lying Electronic States of TlX (X = F, Cl, Br, I, and At)

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Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements

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Bonding in Mercury Molecules Described by the Normalized Elimination of the Small Component and Coupled Cluster Theory

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All-electron scalar relativistic basis sets for third-row transition metal atoms

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Non-iterative approach to the infinite-order two-component (IOTC) relativistic theory and the non-symmetric algebraic Riccati equation

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Making four- and two-component relativistic density functional methods fully equivalent based on the idea of from atoms to molecule

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Quasirelativistic theory. II. Theory at matrix level

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On convergence of the normalized elimination of the small component (NESC) method

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An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation

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Douglas-Kroll-Hess Theory: a relativistic electrons-only theory for chemistry

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Quasirelativistic theory equivalent to fully relativistic theory

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Theoretical study of PbO and the PbO anion

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Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory

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A gauge-independent zeroth-order regular approximation to the exact relativistic Hamiltonian-formulation and applications

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